3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one

C13H22N4O — CID 66182628

IUPAC3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
SMILESCCN(c1nccn(C(C)(C)C)c1=O)C1CNC1
InChIInChI=1S/C13H22N4O/c1-5-16(10-8-14-9-10)11-12(18)17(7-6-15-11)13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyGNEAMKNWNWQLHB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds3

About 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one

3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one (PubChem CID 66182628) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
PubChem CID66182628
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
SMILESCCN(c1nccn(C(C)(C)C)c1=O)C1CNC1
InChIInChI=1S/C13H22N4O/c1-5-16(10-8-14-9-10)11-12(18)17(7-6-15-11)13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyGNEAMKNWNWQLHB-UHFFFAOYSA-N
XLogP0.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one?
The IUPAC name of 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one (CID 66182628) is 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one is CCN(c1nccn(C(C)(C)C)c1=O)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one?
The InChIKey is GNEAMKNWNWQLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-16(10-8-14-9-10)11-12(18)17(7-6-15-11)13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3.
What are the key properties of 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one?
3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one is sourced from PubChem (CID 66182628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).